Crystallography Open Database

Information card for entry 4086581

Preview

Coordinates	4086581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H40 Be2 N2 P2
Calculated formula	C41 H40 Be2 N2 P2
SMILES	P1(=[N](c2ccccc2)[Be](C21P(=[N](c1ccccc1)[Be]2CC)(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes
Authors of publication	Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	14
Pages of publication	2378
a	19.0777 ± 0.0016 Å
b	17.7914 ± 0.0014 Å
c	20.5506 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	6975.3 ± 1 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4086581.cif
184947	2016-08-05	cif/ Updating files of 4086580, 4086581, 4086582 Original log message: Adding full bibliography for 4086580--4086582.cif.	4086581.cif
184286	2016-07-08	cif/ Adding structures of 4086580, 4086581, 4086582 via cif-deposit CGI script.	4086581.cif